Molecular Dynamics simulation in Molecular Mechanics
Allosteric communication network in proteins
Protein’s structure, dynamics, and function at the molecular level
Conformational statistics of macromolecules
Coarse-grained modeling: Elastic Network Models
Computer-aided drug design
Research Statement
My research is focused on understanding the dynamic structure of proteins, exploring allosteric sites and communication, using computational techniques such as Molecular Dynamics simulations. For the last three years (since 2019), I am conducting a TÜBITAK project in which I am studying the allosteric behavior of glycolytic enzymes using prediction algorithms and theoretical models such as elastic network model. In another recently approved TÜBITAK project (March 2022), I will be developing machine-learning algorithms for protein-protein interface prediction which emphasizes the necessity of having different structural predictors for membrane and cytoplasmic protein complexes. Also, I am using computer-aided drug design techniques such as docking and pharmacophore modeling for drug repositioning.